Theoretical and Experimental Chemistry

, Volume 32, Issue 6, pp 302–304 | Cite as

Characteristic features of excess charge localization in stepwise three-electron reduction of Ni-octaethylporphin

  • G. N. Sinyakov
  • A. M. Shul'ga
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Abstract

We have investigated the electronic structure of Ni-octaethylporphin anions (NiOEP) by1H NMR. We have established that in (NiOEP)−, the excess electron is localized in the\(d_{x^2 - y^2 } \) orbital of the nickel, while the second and third extra electrons in (NiOEP)2- and (NiOEP)3- are localized in the π orbitals of the ligand. We conclude that spin density is transferred between the d orbitals of the Ni and the π orbitals of the porphyrin ligand.

Keywords

Nickel Porphyrin Characteristic Feature Spin Density Charge Localization 
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Copyright information

© Plenum Publishing Corporation 1997

Authors and Affiliations

  • G. N. Sinyakov
  • A. M. Shul'ga

There are no affiliations available

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